SCHEMBL9700938

SCHEMBL9700938

COC(=O)c1cnccc1[O]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 4/20 0.61
GLA P06280 2/20 0.61
GAA P10253 2/20 0.61
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HSD17B10 Q99714 4/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
NCOA1 Q15788 1/20 0.46
RCE1 Q9Y256 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
KMT2A Q03164 1/20 0.45
CYP46A1 Q9Y6A2 1/20 0.45
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL68952 0.84 KDM4E (0.70) KDM4EALDH1A1GLAGAALMNA
SCHEMBL29416299 0.84 KDM4E (0.70) KDM4EALDH1A1GLAGAALMNA
SCHEMBL2552940 0.81 KDM4E (0.61) KDM4EALDH1A1GLAGAALMNA
SCHEMBL30957166 0.81 SIRT3 (0.61) KDM4EALDH1A1GLAGAALMNA
SCHEMBL1440123 0.81 SIRT3 (0.61) KDM4EALDH1A1GLAGAALMNA
SCHEMBL5834304 0.80 ALDH1A1 (0.56) KDM4EALDH1A1GLAGAALMNA
SCHEMBL14874214 0.79 KDM4E (0.59) KDM4EALDH1A1GLAGAALMNA
SCHEMBL3560534 0.79 ALDH1A1 (0.64) KDM4EALDH1A1GLAGAALMNA
SCHEMBL2120360 0.79 ALDH1A1 (0.64) KDM4EALDH1A1GLAGAALMNA
SCHEMBL5700411 0.79 KDM4E (0.59) KDM4EALDH1A1GLAGAALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0495627-A1 Boron compounds ZENECA LIMITED (GB) 1992-07-22 EP claimed